2-methoxy-4-(4-pyridin-2-ylpiperazin-1-yl)aniline

C16H20N4O — CID 63671263

IUPAC2-methoxy-4-(4-pyridin-2-ylpiperazin-1-yl)aniline
SMILESCOc1cc(N2CCN(c3ccccn3)CC2)ccc1N
InChIInChI=1S/C16H20N4O/c1-21-15-12-13(5-6-14(15)17)19-8-10-20(11-9-19)16-4-2-3-7-18-16/h2-7,12H,8-11,17H2,1H3
InChIKeyOMLNNCRNAPMKIW-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.00
Rot. Bonds3

About 2-methoxy-4-(4-pyridin-2-ylpiperazin-1-yl)aniline

2-methoxy-4-(4-pyridin-2-ylpiperazin-1-yl)aniline (PubChem CID 63671263) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-methoxy-4-(4-pyridin-2-ylpiperazin-1-yl)aniline.

Molecular Properties

Compound Name2-methoxy-4-(4-pyridin-2-ylpiperazin-1-yl)aniline
PubChem CID63671263
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name2-methoxy-4-(4-pyridin-2-ylpiperazin-1-yl)aniline
SMILESCOc1cc(N2CCN(c3ccccn3)CC2)ccc1N
InChIInChI=1S/C16H20N4O/c1-21-15-12-13(5-6-14(15)17)19-8-10-20(11-9-19)16-4-2-3-7-18-16/h2-7,12H,8-11,17H2,1H3
InChIKeyOMLNNCRNAPMKIW-UHFFFAOYSA-N
XLogP2.00
TPSA54.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

methyl 2-amino-5-(4-pyridin-2-ylpiperazin-1-yl)benzoate
CID 146347076
3-methyl-5-(4-pyridin-2-ylpiperazin-1-yl)aniline
CID 115980573
1-(4-fluoro-2-methoxyphenyl)-4-pyridin-2-ylpiperazine
CID 133315766
4-(4,4-difluoropiperidin-1-yl)-2-methoxyaniline
CID 57416121
1-methoxy-4-pyridin-2-ylpiperazine
CID 59857720
4-[4-(2-fluoroethyl)piperazin-1-yl]-2-methoxyaniline
CID 88571838
CID 89393426
CID 89393426
1'-(4-amino-3-methoxyphenyl)spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one
CID 118888506
1-(4-amino-3-methoxyphenyl)-N,N-dimethylpiperidin-4-amine
CID 57416153
6-(4-pyridin-2-ylpiperazin-1-yl)quinoline
CID 110454797
4-(4-cyclohexylpiperazin-1-yl)-2-methoxyaniline
CID 58608385
1-(4-methylphenyl)-4-pyridin-2-yl-1,4-diazepane
CID 142175555

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-(4-pyridin-2-ylpiperazin-1-yl)aniline?
The IUPAC name of 2-methoxy-4-(4-pyridin-2-ylpiperazin-1-yl)aniline (CID 63671263) is 2-methoxy-4-(4-pyridin-2-ylpiperazin-1-yl)aniline.
What is the SMILES notation for 2-methoxy-4-(4-pyridin-2-ylpiperazin-1-yl)aniline?
The canonical SMILES for 2-methoxy-4-(4-pyridin-2-ylpiperazin-1-yl)aniline is COc1cc(N2CCN(c3ccccn3)CC2)ccc1N.
What is the InChIKey of 2-methoxy-4-(4-pyridin-2-ylpiperazin-1-yl)aniline?
The InChIKey is OMLNNCRNAPMKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-21-15-12-13(5-6-14(15)17)19-8-10-20(11-9-19)16-4-2-3-7-18-16/h2-7,12H,8-11,17H2,1H3.
What are the key properties of 2-methoxy-4-(4-pyridin-2-ylpiperazin-1-yl)aniline?
2-methoxy-4-(4-pyridin-2-ylpiperazin-1-yl)aniline has a molecular weight of 284.36 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-(4-pyridin-2-ylpiperazin-1-yl)aniline is sourced from PubChem (CID 63671263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).